ChemicalBook--->CAS DataBase List--->1227577-03-8

1227577-03-8

1227577-03-8 Structure

1227577-03-8 Structure
IdentificationBack Directory
[Name]

2-chloro-3-fluoropyridin-4-aMine
[CAS]

1227577-03-8
[Synonyms]

2-chloro-3-fluoropyridin-4-aMine
4-Amino-2-chloro-3-fluoropyridine
4-Pyridinamine, 2-chloro-3-fluoro-
2-Chloro-3-fluoro-pyridin-4-ylamine
[EINECS(EC#)]

818-063-5
[Molecular Formula]

C5H4ClFN2
[MDL Number]

MFCD16606117
[MOL File]

1227577-03-8.mol
[Molecular Weight]

146.55
Chemical PropertiesBack Directory
[Boiling point ]

271.9±35.0 °C(Predicted)
[density ]

1.449±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

powder
[pka]

2.81±0.42(Predicted)
[color ]

Brown
[InChI]

InChI=1S/C5H4ClFN2/c6-5-4(7)3(8)1-2-9-5/h1-2H,(H2,8,9)
[InChIKey]

VUGYOFOYGPXOFL-UHFFFAOYSA-N
[SMILES]

C1(Cl)=NC=CC(N)=C1F
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P260-P280-P301+P310
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

2-chloro-3-fluoropyridin-4-aMine(1227577-03-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

TFA (5 mL) was added to a solution of (2- chloro-3-fluoropyridin-4-yl)carbamic acid fert-butyl ester (1.9 g, 7.7 mmol) in DCM (10 mL). The solution was stirred at ambient temperature for 5 hours and concentrated under reduced pressure. The resultant residue was dissolved in DCM and purified by column chromatography on an NH2 cartridge (0-10 per cent MeOH in DCM) to afford 2-chloro-3-fluoropyridin-4-aMine as a beige solid (0.96 g, 94 per cent yield). NMR (400 MHz, CDC13): δ 7.82 (d, J = 5.4 Hz, 1H), 6.60 (t, J= 5.8 Hz, 1H), 4.38 (br s, 2H).
[References]

[1] Patent: WO2012/35039, 2012, A1. Location in patent: Page/Page column 97
[2] Patent: US2015/203455, 2015, A1. Location in patent: Paragraph 0461; 0463
[3] Patent: WO2015/110378, 2015, A1. Location in patent: Paragraph 00263; 00312
[4] Patent: US9440929, 2016, B2. Location in patent: Page/Page column 59; 60
[5] Patent: WO2017/12647, 2017, A1. Location in patent: Paragraph 0502
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